3-METHYLHEPTANE CAS 589-81-1

Introduction：Basic information about 3-METHYLHEPTANE CAS 589-81-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

3-METHYLHEPTANE Basic information

• Product Name: 3-METHYLHEPTANE
• Synonyms: 3-METHYLHEPTANE;3-methyl-heptan;heptane,3-methyl-;Methylheptane,97%;3-Methylheptane,95%;BUTYLETHYLMETHYLMETHANE;2-ETHYLHEXANE;3-METHYLHEPTANE REFERENCE SUBSTANCE FOR
• CAS: 589-81-1
• MF: C8H18
• MW: 114.23
• EINECS: 209-660-6
• Product Categories: Aliphatics;Acyclic;Alkanes;Organic Building Blocks
• Mol File: 589-81-1.mol

3-METHYLHEPTANE Chemical Properties

• Melting point: -121--120°C
• Boiling point: 118 °C(lit.)
• density: 0.705 g/mL at 25 °C(lit.)
• vapor pressure: 0.73 psi ( 37.7 °C)
• refractive index: n20/D 1.398(lit.)
• Fp: 45 °F
• form: clear liquid
• color: Colorless to Almost colorless
• Odor Threshold: 0.027ppm
• Water Solubility: 792 μg/kg at 25 °C (shake flask-GLC, Price, 1976)
• BRN: 1730777
• Henry's Law Constant: 3.70 atm?m³/molat 25 °C (approximate - calculated from water solubility and vapor pressure)
• Exposure limits: ACGIH: TWA 300 ppm
• InChI: 1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
• InChIKey: LAIUFBWHERIJIH-UHFFFAOYSA-N
• SMILES: CCCCC(C)CC
• LogP: 4.627 (est)
• CAS DataBase Reference: 589-81-1(CAS DataBase Reference)
• EPA Substance Registry System: 3-Methylheptane (589-81-1)

Safety Information

• Hazard Codes: F,Xn,N,Xi
• Risk Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62
• RIDADR: UN 1262 3/PG 2
• WGK Germany: 3
• Hazard Note: Irritant/Highly Flammable
• TSCA: TSCA listed
• HazardClass: 3
• PackingGroup: II
• HS Code: 2901100000
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Aquatic Acute 1 Aquatic Chronic 1 Asp. Tox. 1 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3

3-METHYLHEPTANE Usage And Synthesis

Chemical Properties

Colorless liquid.

Physical properties

Colorless, flammable liquid with an odor resembling hexane. An odor threshold concentration of1.5 ppm_v was reported by Nagata and Takeuchi (1990).

Uses

Calibration, organic synthesis.

Definition

ChEBI: 3-Methylheptane is an alkane.

Hazard

Flammable, dangerous fire risk.

Environmental fate

Photolytic. Based on a photooxidation rate constant of 8.90 x 10^-12 cm³/molecule?sec for thereaction of 3-methylheptane and OH radicals, the estimated lifetime is 16 h during summersunlight (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3-Methylheptane will not hydrolyze because it does not contain a hydrolyzable functional group.

Solubility in organics

In methanol, g/L: 154 at 5 °C, 170 at 10 °C, 190 at 15 °C, 212 at 20 °C, 242 at 25 °C, 274 at 30°C, 314 at 35 °C, 365 at 40 °C (Kiser et al., 1961); miscible in many liquid hydrocarbons,particularly saturated hydrocarbons.

3-METHYLHEPTANE Preparation Products And Raw materials

• Preparation Products: N-NONANE-->2,4-DIMETHYLPENTANE-->2-METHYLHEPTANE